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Compound Detail

CHEMBL3393839

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CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccnc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393839
Phase Preclinical
Structure Type MOL
InChI Key CHKCYKXIPOOSAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
5.21
ALogP
4
HBA
2
HBD
70.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F3N5O
MW 443.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
25597011 10.1016/j.bmcl.2014.12.086 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine